#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygw n ASP 3 N 1.82 0.21 -3.58 0.00 8.00 -1.26 -4.76 116.55 116.97 1ygw n ASP 3 Ca 0.19 -0.55 -0.29 0.00 0.71 0.00 0.00 54.79 54.85 1ygw n ASP 3 Cb 0.03 0.32 -0.12 0.00 -0.02 0.00 0.00 41.12 41.33 1ygw n ASP 3 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ygw s TYR 4 N -0.32 1.49 -0.53 1.24 2.02 -1.25 -4.72 117.35 115.28 1ygw s TYR 4 Ca 0.00 -2.19 -0.17 0.00 -0.37 0.00 0.00 57.07 54.34 1ygw s TYR 4 Cb 0.00 -1.43 0.09 0.00 -0.40 0.00 0.00 41.96 40.22 1ygw s TYR 4 CO 0.00 -0.79 0.55 0.99 -1.57 0.00 0.00 175.55 174.73 1ygw s THR 5 N 0.44 5.04 -1.54 -0.71 2.01 -1.22 -3.13 115.64 116.53 1ygw s THR 5 Ca 0.21 -1.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 1ygw s THR 5 Cb -0.18 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 67.99 1ygw s THR 5 CO -0.04 -0.85 2.61 0.00 -0.69 0.00 0.00 174.62 175.65 1ygw n GLY 7 N 3.68 0.77 2.56 0.00 0.00 -1.26 -3.96 105.19 106.98 1ygw n GLY 7 Ca 0.66 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 46.49 1ygw n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ygw n SER 8 N 1.74 2.73 -2.22 1.61 3.41 -1.26 -5.07 113.62 114.56 1ygw n SER 8 Ca 0.00 -3.21 -0.10 0.00 -0.26 0.00 0.00 58.87 55.30 1ygw n SER 8 Cb 0.00 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.38 1ygw n SER 8 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ygw n ASN 9 N -0.14 -0.53 -2.66 4.04 3.02 -1.25 -5.01 115.26 112.72 1ygw n ASN 9 Ca 0.24 -2.18 -0.03 0.00 -0.03 0.00 0.00 54.58 52.58 1ygw n ASN 9 Cb 0.67 1.12 0.11 0.00 -0.61 0.00 0.00 39.78 41.08 1ygw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ygw s TYR 11 N 0.03 2.54 1.35 0.00 -0.85 -1.18 -4.50 117.35 114.74 1ygw s TYR 11 Ca 0.21 -2.28 -0.22 0.00 -0.52 0.00 0.00 57.07 54.26 1ygw s TYR 11 Cb 0.29 -2.21 0.34 0.00 0.38 0.00 0.00 41.96 40.76 1ygw s TYR 11 CO -0.20 -0.90 1.00 0.45 -1.52 0.00 0.00 175.55 174.37 1ygw s SER 12 N 1.27 -0.39 0.50 -0.18 0.15 -1.26 -3.77 113.70 110.02 1ygw s SER 12 Ca 0.11 0.75 0.18 0.00 0.70 0.00 0.00 55.95 57.69 1ygw s SER 12 Cb -0.18 -1.05 1.00 0.00 -1.71 0.00 0.00 66.02 64.08 1ygw s SER 12 CO -0.17 -4.94 1.51 0.77 1.20 0.00 0.00 173.24 171.60 1ygw h SER 13 N -3.14 0.00 0.97 5.45 4.64 -1.92 1.71 113.55 121.26 1ygw h SER 13 Ca -0.44 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.67 1ygw h SER 13 Cb 1.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1ygw h SER 13 CO 0.30 0.00 -1.06 -1.28 -0.87 0.00 0.00 176.83 173.91 1ygw h SER 14 N 0.00 0.00 0.20 4.97 0.87 -1.94 -2.96 113.55 114.69 1ygw h SER 14 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 1ygw h SER 14 Cb 0.80 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.77 1ygw h SER 14 CO 0.00 0.94 -1.63 0.44 -0.53 0.00 0.00 176.83 176.05 1ygw h ASP 15 N 0.00 0.67 -0.43 6.23 5.19 0.22 -3.34 116.42 124.97 1ygw h ASP 15 Ca -0.05 -0.93 0.05 0.00 -0.62 0.00 0.00 57.03 55.48 1ygw h ASP 15 Cb 1.76 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 41.01 1ygw h ASP 15 CO 0.11 1.75 0.16 0.58 -3.12 0.00 0.00 179.24 178.72 1ygw h VAL 16 N 0.08 0.88 -0.82 -1.35 2.07 -1.08 -2.17 116.25 113.85 1ygw h VAL 16 Ca -0.31 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.24 1ygw h VAL 16 Cb 2.09 0.52 -0.14 0.00 -1.52 0.00 0.00 31.29 32.23 1ygw h VAL 16 CO 0.20 0.06 -0.27 -0.24 0.02 0.00 0.00 177.57 177.34 1ygw n SER 17 N -5.00 -0.42 -0.10 0.57 2.88 -1.12 0.12 113.62 110.55 1ygw n SER 17 Ca 0.03 1.42 -0.08 0.00 -1.33 0.00 0.00 58.87 58.91 1ygw n SER 17 Cb 0.15 -0.37 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1ygw n SER 17 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ygw h THR 18 N 0.00 0.22 -0.80 2.46 2.02 -1.56 0.88 112.91 116.14 1ygw h THR 18 Ca 0.34 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.56 1ygw h THR 18 Cb 0.54 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1ygw h THR 18 CO -0.83 0.00 0.50 0.00 0.37 0.00 0.00 175.52 175.56 1ygw h ALA 19 N 0.67 1.06 0.43 6.16 0.00 0.83 -2.58 119.26 125.83 1ygw h ALA 19 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ygw h ALA 19 Cb 0.55 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ygw h ALA 19 CO -0.52 0.29 -0.24 1.96 0.00 0.00 0.00 179.25 180.74 1ygw h GLN 20 N 0.96 -0.60 -0.90 0.00 4.20 0.19 -1.92 115.11 117.04 1ygw h GLN 20 Ca 0.33 0.04 0.34 0.00 0.06 0.00 0.00 58.65 59.42 1ygw h GLN 20 Cb 0.06 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 27.85 1ygw h GLN 20 CO -0.13 -0.40 0.54 0.00 -0.67 0.00 0.00 178.83 178.17 1ygw n ALA 21 N -2.40 0.91 -0.00 3.87 0.00 0.28 0.25 120.51 123.42 1ygw n ALA 21 Ca -0.11 0.74 -0.12 0.00 0.00 0.00 0.00 53.44 53.95 1ygw n ALA 21 Cb 0.27 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 1ygw n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ygw h ALA 22 N 1.40 -0.08 -0.99 0.00 0.00 -1.31 -0.69 119.26 117.59 1ygw h ALA 22 Ca 0.67 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 55.43 1ygw h ALA 22 Cb 1.94 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.67 1ygw h ALA 22 CO -0.49 -0.19 0.60 0.78 0.00 0.00 0.00 179.25 179.95 1ygw h GLY 23 N -0.80 1.68 0.00 0.00 0.00 0.40 -0.01 103.07 104.33 1ygw h GLY 23 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1ygw h GLY 23 CO 0.01 0.05 0.00 2.98 0.00 0.00 0.00 176.54 179.58 1ygw n TYR 24 N -4.70 0.00 -0.27 5.60 9.36 0.22 -0.54 117.16 126.83 1ygw n TYR 24 Ca 0.20 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.44 1ygw n TYR 24 Cb 0.45 -0.44 0.06 0.00 -0.63 0.00 0.00 39.34 38.78 1ygw n TYR 24 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ygw n LYS 25 N -1.82 -0.13 -0.16 2.98 0.00 -0.27 0.41 118.16 119.18 1ygw n LYS 25 Ca 0.00 1.13 -0.07 0.00 0.00 0.00 0.00 58.31 59.37 1ygw n LYS 25 Cb 0.00 -1.68 0.09 0.00 0.00 0.00 0.00 35.03 33.44 1ygw n LYS 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1ygw h LEU 26 N 0.00 0.91 -0.41 3.14 5.85 -1.11 -1.27 115.31 122.42 1ygw h LEU 26 Ca 0.29 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1ygw h LEU 26 Cb 0.47 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1ygw h LEU 26 CO -0.73 0.97 0.15 -0.74 -0.34 0.00 0.00 178.44 177.75 1ygw h HIS 27 N 0.85 0.64 0.00 1.25 2.76 1.07 0.12 115.15 121.85 1ygw h HIS 27 Ca 0.16 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1ygw h HIS 27 Cb 0.53 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.29 1ygw h HIS 27 CO 0.03 0.57 -0.15 0.93 -1.30 0.00 0.00 177.93 178.02 1ygw h GLU 28 N 0.52 0.00 0.00 5.26 5.08 0.31 -0.51 114.58 125.25 1ygw h GLU 28 Ca 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1ygw h GLU 28 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ygw h GLU 28 CO -0.01 0.15 -0.41 -0.44 -1.00 0.00 0.00 179.01 177.30 1ygw h ASP 29 N 0.00 0.00 -0.36 1.42 5.19 -0.42 -3.47 116.42 118.77 1ygw h ASP 29 Ca -0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1ygw h ASP 29 Cb 0.33 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1ygw h ASP 29 CO 0.02 0.09 -0.09 0.61 -3.12 0.00 0.00 179.24 176.75 1ygw n GLY 30 N 1.15 0.50 4.03 2.75 0.00 0.33 -5.03 105.19 108.92 1ygw n GLY 30 Ca 0.02 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 1ygw n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ygw s GLU 31 N -3.09 2.36 0.42 1.61 0.41 -0.67 -5.03 118.70 114.72 1ygw s GLU 31 Ca 0.00 -1.59 0.04 0.00 -0.41 0.00 0.00 54.97 53.01 1ygw s GLU 31 Cb 0.00 -2.66 -0.02 0.00 -1.78 0.00 0.00 34.13 29.67 1ygw s GLU 31 CO 0.00 -0.80 0.15 0.95 -0.49 0.00 0.00 175.26 175.07 1ygw s THR 32 N -2.63 0.51 -0.04 3.63 -4.23 -1.26 -4.33 115.64 107.29 1ygw s THR 32 Ca 0.61 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1ygw s THR 32 Cb -0.06 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1ygw s THR 32 CO 0.38 0.00 -0.01 0.68 -0.54 0.00 0.00 174.62 175.13 1ygw s VAL 33 N -3.20 0.29 0.00 2.29 -7.23 0.26 -4.94 120.40 107.88 1ygw s VAL 33 Ca 0.23 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1ygw s VAL 33 Cb 0.02 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.58 1ygw s VAL 33 CO 0.15 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1ygw n GLY 34 N 4.18 -0.18 0.01 2.32 0.00 0.94 -3.81 105.19 108.65 1ygw n GLY 34 Ca -0.25 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 44.82 1ygw n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ygw n SER 35 N 1.83 0.69 -2.50 1.61 7.64 -1.26 -4.90 113.62 116.74 1ygw n SER 35 Ca 0.00 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.35 1ygw n SER 35 Cb 0.00 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 1ygw n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ygw n ASN 36 N -1.73 0.00 -2.30 6.43 4.13 -1.25 -5.01 115.26 115.53 1ygw n ASN 36 Ca 0.03 -0.49 -0.21 0.00 1.68 0.00 0.00 54.58 55.59 1ygw n ASN 36 Cb 0.39 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.65 1ygw n ASN 36 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ygw n SER 37 N -1.46 4.20 -4.87 6.41 3.41 -1.26 -4.53 113.62 115.51 1ygw n SER 37 Ca 0.00 -3.45 -0.34 0.00 -0.26 0.00 0.00 58.87 54.81 1ygw n SER 37 Cb 0.00 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 1ygw n SER 37 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ygw s TYR 38 N -3.58 3.57 0.50 7.33 1.51 -1.26 -3.93 117.35 121.50 1ygw s TYR 38 Ca 0.45 0.71 -0.08 0.00 -1.01 0.00 0.00 57.07 57.14 1ygw s TYR 38 Cb 0.40 -2.10 0.12 0.00 -0.11 0.00 0.00 41.96 40.27 1ygw s TYR 38 CO -0.04 0.54 0.55 -0.35 -1.11 0.00 0.00 175.55 175.14 1ygw n PRO 39 N 0.91 -1.27 0.00 -1.71 -0.04 -1.26 -0.58 135.00 131.05 1ygw n PRO 39 Ca -0.09 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1ygw n PRO 39 Cb 0.52 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.31 1ygw n PRO 39 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ygw n HIS 40 N -3.19 0.00 -0.86 0.54 1.44 -1.19 -4.95 115.22 107.01 1ygw n HIS 40 Ca 0.07 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.44 1ygw n HIS 40 Cb 0.26 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.45 1ygw n HIS 40 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1ygw n LYS 41 N -0.07 -0.64 -0.15 -1.40 2.85 -1.25 0.18 118.16 117.67 1ygw n LYS 41 Ca 0.00 -0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1ygw n LYS 41 Cb 0.00 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 1ygw n LYS 41 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1ygw n TYR 42 N -3.83 0.00 0.00 5.58 9.36 0.80 -3.53 117.16 125.54 1ygw n TYR 42 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1ygw n TYR 42 Cb 0.66 0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.48 1ygw n TYR 42 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1ygw n ASN 43 N 0.00 0.00 -4.39 2.98 3.02 -1.26 -4.70 115.26 110.90 1ygw n ASN 43 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1ygw n ASN 43 Cb 0.52 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.94 1ygw n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ygw n ASN 44 N 0.00 -2.08 0.00 6.41 6.94 -1.26 -4.90 115.26 120.37 1ygw n ASN 44 Ca 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.34 1ygw n ASN 44 Cb 0.00 -1.17 0.00 0.00 -2.36 0.00 0.00 39.78 36.25 1ygw n ASN 44 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1ygw n TYR 45 N -4.96 -0.07 0.11 -2.53 4.02 -1.26 -4.94 117.16 107.52 1ygw n TYR 45 Ca 0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.04 1ygw n TYR 45 Cb 0.56 0.01 0.27 0.00 -0.02 0.00 0.00 39.34 40.16 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 3.07 -1.91 -3.41 114.58 111.62 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1ygw n GLY 47 N -1.57 0.55 3.80 -3.84 0.00 -1.26 -5.13 105.19 97.74 1ygw n GLY 47 Ca 0.09 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1ygw n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ygw s PHE 48 N -0.29 3.45 -1.05 1.61 0.08 -1.26 -5.00 117.98 115.53 1ygw s PHE 48 Ca 0.00 0.39 -0.04 0.00 0.12 0.00 0.00 56.93 57.40 1ygw s PHE 48 Cb 0.00 -1.95 0.30 0.00 -0.57 0.00 0.00 43.02 40.80 1ygw s PHE 48 CO 0.00 0.57 1.37 -0.25 -0.10 0.00 0.00 175.22 176.81 1ygw n ASP 49 N 2.37 6.08 -4.63 1.36 9.92 -1.26 -4.94 116.55 125.45 1ygw n ASP 49 Ca -0.19 -3.37 -0.43 0.00 -0.53 0.00 0.00 54.79 50.27 1ygw n ASP 49 Cb 0.54 -1.23 -0.02 0.00 -0.64 0.00 0.00 41.12 39.77 1ygw n ASP 49 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1ygw s PHE 50 N -2.58 2.62 -0.87 1.24 0.08 -1.26 -4.86 117.98 112.35 1ygw s PHE 50 Ca 0.32 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.20 1ygw s PHE 50 Cb 0.04 -3.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.60 1ygw s PHE 50 CO 0.07 -1.87 0.43 -1.13 -0.10 0.00 0.00 175.22 172.62 1ygw n SER 51 N 7.65 0.96 -4.21 1.36 3.41 -1.26 -4.69 113.62 116.84 1ygw n SER 51 Ca 0.15 -1.53 -0.21 0.00 -0.26 0.00 0.00 58.87 57.02 1ygw n SER 51 Cb 0.46 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 63.91 1ygw n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1ygw s VAL 52 N -0.84 1.32 -0.01 -3.33 -7.23 -1.26 -5.07 120.40 103.97 1ygw s VAL 52 Ca 0.00 -1.34 -0.20 0.00 -1.81 0.00 0.00 61.98 58.63 1ygw s VAL 52 Cb 0.00 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 1ygw s VAL 52 CO 0.00 -0.13 0.58 -0.44 -0.31 0.00 0.00 175.10 174.80 1ygw s SER 53 N -1.69 6.95 0.93 4.85 0.01 -1.26 -5.00 113.70 118.49 1ygw s SER 53 Ca 0.01 1.14 -0.19 0.00 1.31 0.00 0.00 55.95 58.22 1ygw s SER 53 Cb -0.10 -2.36 -0.06 0.00 0.21 0.00 0.00 66.02 63.72 1ygw s SER 53 CO 0.03 0.10 -0.74 -1.54 0.41 0.00 0.00 173.24 171.50 1ygw n SER 54 N 2.76 -2.69 -4.80 2.44 3.41 -1.26 -4.40 113.62 109.08 1ygw n SER 54 Ca -0.07 -0.07 -0.34 0.00 -0.26 0.00 0.00 58.87 58.12 1ygw n SER 54 Cb 0.51 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1ygw n SER 54 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ygw s PRO 55 N -2.45 3.84 -0.36 4.33 0.04 -1.26 -4.65 135.00 134.49 1ygw s PRO 55 Ca 0.33 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.53 1ygw s PRO 55 Cb 0.03 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1ygw s PRO 55 CO 0.49 -0.40 0.68 0.71 0.04 0.00 0.00 177.00 178.52 1ygw s TYR 56 N -1.95 3.13 -0.27 0.56 2.02 -1.26 -3.01 117.35 116.57 1ygw s TYR 56 Ca 0.66 0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 57.60 1ygw s TYR 56 Cb -0.17 -3.22 -0.04 0.00 -0.40 0.00 0.00 41.96 38.13 1ygw s TYR 56 CO 0.20 -0.67 0.29 0.71 -1.57 0.00 0.00 175.55 174.51 1ygw s TYR 57 N 2.82 3.23 -0.14 2.71 2.02 6.25 0.28 117.35 134.52 1ygw s TYR 57 Ca 0.26 0.28 -0.22 0.00 -0.37 0.00 0.00 57.07 57.02 1ygw s TYR 57 Cb -0.14 -2.49 -0.03 0.00 -0.40 0.00 0.00 41.96 38.91 1ygw s TYR 57 CO 0.16 -0.20 0.67 -1.83 -1.57 0.00 0.00 175.55 172.78 1ygw s GLU 58 N 1.93 4.31 0.00 -0.62 -1.05 0.46 0.14 118.70 123.87 1ygw s GLU 58 Ca 0.11 0.76 -0.05 0.00 -0.15 0.00 0.00 54.97 55.63 1ygw s GLU 58 Cb -0.16 -3.52 -0.00 0.00 -0.44 0.00 0.00 34.13 30.01 1ygw s GLU 58 CO 0.10 -0.13 0.10 -0.46 0.95 0.00 0.00 175.26 175.83 1ygw s TRP 59 N 1.50 0.06 0.62 4.83 -0.11 0.66 -3.15 118.94 123.35 1ygw s TRP 59 Ca 0.33 -0.16 -0.14 0.00 1.22 0.00 0.00 56.10 57.35 1ygw s TRP 59 Cb -0.16 -0.07 -0.03 0.00 -1.50 0.00 0.00 33.47 31.71 1ygw s TRP 59 CO 0.13 -0.24 1.05 -1.25 -4.62 0.00 0.00 176.95 172.02 1ygw s PRO 60 N -1.22 3.26 -0.16 5.86 0.04 -1.26 0.61 135.00 142.12 1ygw s PRO 60 Ca -0.13 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1ygw s PRO 60 Cb -0.07 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1ygw s PRO 60 CO 0.01 -0.85 -0.15 -1.50 0.04 0.00 0.00 177.00 174.56 1ygw s ILE 61 N -2.64 1.68 -0.27 0.56 2.07 -1.04 -4.29 121.20 117.27 1ygw s ILE 61 Ca 0.62 -0.76 -0.19 0.00 -1.41 0.00 0.00 60.65 58.91 1ygw s ILE 61 Cb -0.15 -1.59 -0.02 0.00 0.13 0.00 0.00 42.46 40.82 1ygw s ILE 61 CO 0.42 0.42 0.55 -0.76 -1.91 0.00 0.00 174.94 173.66 1ygw s LEU 62 N 1.43 4.08 0.00 8.50 1.43 -1.26 -4.62 118.68 128.24 1ygw s LEU 62 Ca 0.04 0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 1ygw s LEU 62 Cb -0.13 -2.71 0.34 0.00 0.03 0.00 0.00 46.19 43.71 1ygw s LEU 62 CO -0.11 -0.34 1.06 -1.20 0.23 0.00 0.00 176.35 175.99 1ygw n SER 63 N 5.63 0.00 0.06 2.29 7.64 -1.26 -0.26 113.62 127.72 1ygw n SER 63 Ca -0.03 0.18 0.12 0.00 1.01 0.00 0.00 58.87 60.14 1ygw n SER 63 Cb 0.49 -0.28 0.05 0.00 -1.01 0.00 0.00 64.21 63.47 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ygw n SER 64 N -1.28 0.67 -0.28 6.43 7.64 -1.26 -4.96 113.62 120.58 1ygw n SER 64 Ca 0.03 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1ygw n SER 64 Cb 0.05 0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1ygw n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ygw n GLY 65 N 1.30 0.93 0.22 0.23 0.00 0.64 -5.08 105.19 103.42 1ygw n GLY 65 Ca 0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.48 1ygw n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ygw n ASP 66 N 1.19 1.25 -4.07 1.61 8.00 -1.26 -5.01 116.55 118.26 1ygw n ASP 66 Ca 0.00 -1.11 -0.32 0.00 0.71 0.00 0.00 54.79 54.06 1ygw n ASP 66 Cb 0.37 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.32 1ygw n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ygw s VAL 67 N -0.30 2.36 0.19 2.53 1.01 -1.26 -4.50 120.40 120.43 1ygw s VAL 67 Ca 0.02 -1.84 -0.30 0.00 0.00 0.00 0.00 61.98 59.85 1ygw s VAL 67 Cb -0.00 -2.51 -0.16 0.00 0.00 0.00 0.00 36.38 33.71 1ygw s VAL 67 CO 0.01 -0.24 0.81 0.00 0.00 0.00 0.00 175.10 175.68 1ygw n TYR 68 N 4.41 0.36 0.02 5.22 9.36 -1.26 -4.91 117.16 130.36 1ygw n TYR 68 Ca -0.08 0.87 0.00 0.00 3.32 0.00 0.00 57.90 62.01 1ygw n TYR 68 Cb 0.42 -2.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.03 1ygw n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1ygw n SER 69 N 1.76 0.23 -1.04 2.98 3.41 -1.26 -4.89 113.62 114.81 1ygw n SER 69 Ca 0.16 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1ygw n SER 69 Cb 0.24 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1ygw n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ygw n GLY 70 N 3.10 -0.79 0.00 5.00 0.00 -1.26 0.32 105.19 111.56 1ygw n GLY 70 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.77 1ygw n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ygw n GLY 71 N 0.00 0.68 2.99 -0.02 0.00 -1.26 -2.86 105.19 104.72 1ygw n GLY 71 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ygw s SER 72 N -1.32 5.25 -0.07 1.61 1.04 -1.26 -4.89 113.70 114.06 1ygw s SER 72 Ca 0.01 -3.68 -0.16 0.00 0.48 0.00 0.00 55.95 52.60 1ygw s SER 72 Cb 0.02 -1.75 -0.12 0.00 0.10 0.00 0.00 66.02 64.28 1ygw s SER 72 CO 0.13 -0.15 0.61 1.55 0.98 0.00 0.00 173.24 176.36 1ygw h PRO 73 N 5.81 -0.21 0.00 4.02 0.13 -1.94 -3.51 132.00 136.30 1ygw h PRO 73 Ca 0.12 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ygw h PRO 73 Cb 0.80 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1ygw h PRO 73 CO 0.77 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 1ygw n GLY 74 N 0.93 3.00 0.27 1.56 0.00 -1.26 -4.92 105.19 104.77 1ygw n GLY 74 Ca -0.06 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.46 1ygw n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw h ALA 75 N 0.00 0.97 -2.46 4.61 0.00 -1.94 -3.39 119.26 117.04 1ygw h ALA 75 Ca 0.00 0.17 -0.54 0.00 0.00 0.00 0.00 54.91 54.54 1ygw h ALA 75 Cb 0.00 0.23 0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ygw h ALA 75 CO 0.00 -0.34 1.08 -0.25 0.00 0.00 0.00 179.25 179.74 1ygw n ASP 76 N -5.16 3.94 -3.77 0.00 8.00 -1.26 -2.28 116.55 116.03 1ygw n ASP 76 Ca 0.14 1.00 -0.13 0.00 0.71 0.00 0.00 54.79 56.51 1ygw n ASP 76 Cb 0.47 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 39.94 1ygw n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ygw s ARG 77 N 2.57 0.52 -0.04 -1.24 1.81 0.19 -2.49 118.95 120.26 1ygw s ARG 77 Ca 0.82 0.10 0.01 0.00 -1.72 0.00 0.00 55.73 54.94 1ygw s ARG 77 Cb -0.51 0.24 -0.03 0.00 -0.45 0.00 0.00 34.95 34.19 1ygw s ARG 77 CO 0.38 -0.11 -0.04 0.54 -0.68 0.00 0.00 175.30 175.38 1ygw s VAL 78 N -0.61 3.89 -0.06 3.52 0.11 2.61 -0.84 120.40 129.02 1ygw s VAL 78 Ca -0.07 -0.52 0.06 0.00 -2.93 0.00 0.00 61.98 58.52 1ygw s VAL 78 Cb -0.04 -2.65 -0.01 0.00 -1.53 0.00 0.00 36.38 32.15 1ygw s VAL 78 CO 0.02 0.52 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.37 1ygw s VAL 79 N -0.91 2.04 0.15 2.04 1.01 -1.25 0.24 120.40 123.71 1ygw s VAL 79 Ca 0.15 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1ygw s VAL 79 Cb -0.11 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1ygw s VAL 79 CO 0.04 0.57 0.39 0.72 0.00 0.00 0.00 175.10 176.82 1ygw s PHE 80 N -0.17 -0.03 0.00 5.22 -0.71 0.37 0.91 117.98 123.56 1ygw s PHE 80 Ca -0.03 -0.31 0.00 0.00 -1.04 0.00 0.00 56.93 55.54 1ygw s PHE 80 Cb -0.14 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1ygw s PHE 80 CO 0.04 -0.75 0.00 0.27 -1.34 0.00 0.00 175.22 173.44 1ygw n ASN 81 N -0.24 0.00 -0.22 1.98 0.23 -1.16 0.97 115.26 116.82 1ygw n ASN 81 Ca -0.13 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.87 1ygw n ASN 81 Cb 0.63 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.28 1ygw n ASN 81 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1ygw n GLU 82 N 0.00 -0.23 0.00 -3.83 2.13 -1.26 -4.60 120.64 112.85 1ygw n GLU 82 Ca 0.00 1.11 0.00 0.00 0.66 0.00 0.00 57.16 58.93 1ygw n GLU 82 Cb 0.00 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.06 1ygw n GLU 82 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ygw n ASN 83 N -4.22 0.00 -1.09 4.31 2.04 -1.26 -4.91 115.26 110.12 1ygw n ASN 83 Ca 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 54.58 54.14 1ygw n ASN 83 Cb 0.14 0.07 0.10 0.00 -2.53 0.00 0.00 39.78 37.56 1ygw n ASN 83 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1ygw n ASN 84 N -1.17 2.74 -1.30 0.53 0.23 -1.26 -4.23 115.26 110.79 1ygw n ASN 84 Ca 0.00 -2.36 -0.05 0.00 -0.53 0.00 0.00 54.58 51.64 1ygw n ASN 84 Cb 0.00 -0.57 0.03 0.00 -2.08 0.00 0.00 39.78 37.16 1ygw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ygw n GLN 85 N 0.12 1.26 -0.59 -3.83 -0.00 -1.26 -4.94 117.38 108.14 1ygw n GLN 85 Ca 0.12 -0.60 -0.25 0.00 -0.00 0.00 0.00 57.00 56.26 1ygw n GLN 85 Cb 0.66 -1.24 -0.04 0.00 -0.00 0.00 0.00 30.24 29.62 1ygw n GLN 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1ygw n LEU 86 N 0.29 0.38 0.00 2.61 7.94 -1.26 -3.59 117.00 123.38 1ygw n LEU 86 Ca 0.12 0.36 -0.10 0.00 -1.11 0.00 0.00 56.01 55.28 1ygw n LEU 86 Cb 0.71 -0.36 0.05 0.00 0.53 0.00 0.00 43.42 44.34 1ygw n LEU 86 CO 0.13 -0.32 0.47 0.00 -1.11 0.00 0.00 177.39 176.55 1ygw h ALA 87 N 2.90 0.67 0.00 1.96 0.00 4.13 -3.43 119.26 125.50 1ygw h ALA 87 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ygw h ALA 87 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ygw h ALA 87 CO 0.42 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1ygw n GLY 88 N 0.28 -0.59 2.76 0.00 0.00 -1.17 -4.17 105.19 102.30 1ygw n GLY 88 Ca -0.03 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1ygw n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ygw s VAL 89 N -2.53 -0.33 0.61 1.61 1.01 -1.26 -3.97 120.40 115.54 1ygw s VAL 89 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1ygw s VAL 89 Cb 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1ygw s VAL 89 CO 0.00 -0.58 0.93 0.27 0.00 0.00 0.00 175.10 175.72 1ygw s ILE 90 N 1.54 3.66 -0.15 2.22 -4.36 -0.02 0.55 121.20 124.63 1ygw s ILE 90 Ca 0.16 0.09 -0.29 0.00 -0.26 0.00 0.00 60.65 60.36 1ygw s ILE 90 Cb -0.15 -3.47 0.08 0.00 1.25 0.00 0.00 42.46 40.17 1ygw s ILE 90 CO -0.07 -0.51 0.78 0.28 0.24 0.00 0.00 174.94 175.67 1ygw s THR 91 N -3.05 0.00 -0.80 8.37 -1.32 0.14 -0.63 115.64 118.34 1ygw s THR 91 Ca 0.54 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.02 1ygw s THR 91 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1ygw s THR 91 CO 0.46 0.00 0.35 1.41 -2.21 0.00 0.00 174.62 174.63 1ygw n HIS 92 N 1.50 0.00 -1.37 9.09 8.25 -0.96 -2.69 115.22 129.05 1ygw n HIS 92 Ca -0.16 -0.06 -0.14 0.00 -0.26 0.00 0.00 57.72 57.11 1ygw n HIS 92 Cb 0.56 -0.08 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 1ygw n HIS 92 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1ygw n THR 93 N 0.31 0.00 -2.90 1.59 -1.04 -1.26 -2.24 114.28 108.74 1ygw n THR 93 Ca 0.00 -0.46 -0.17 0.00 -2.04 0.00 0.00 64.05 61.38 1ygw n THR 93 Cb 0.17 -0.43 -0.03 0.00 -1.82 0.00 0.00 70.33 68.22 1ygw n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ygw n GLY 94 N 5.43 -0.32 3.13 3.41 0.00 -1.26 -4.78 105.19 110.80 1ygw n GLY 94 Ca 0.43 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw n ALA 95 N -2.49 -4.57 0.78 4.61 0.00 -0.95 -4.66 120.51 113.23 1ygw n ALA 95 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1ygw n ALA 95 Cb 0.34 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1ygw n ALA 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ygw n SER 96 N 0.77 0.07 0.00 0.00 2.88 -1.26 -4.82 113.62 111.25 1ygw n SER 96 Ca -0.00 -0.85 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 1ygw n SER 96 Cb 0.66 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1ygw n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ygw n GLY 97 N -0.02 -0.33 0.62 0.46 0.00 -1.26 -4.86 105.19 99.81 1ygw n GLY 97 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1ygw n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ygw n ASN 98 N 0.00 1.93 -3.54 1.61 4.05 -1.26 -4.90 115.26 113.15 1ygw n ASN 98 Ca 0.00 -1.66 0.00 0.00 0.45 0.00 0.00 54.58 53.37 1ygw n ASN 98 Cb 0.00 -0.03 0.00 0.00 1.23 0.00 0.00 39.78 40.98 1ygw n ASN 98 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1ygw n ASN 99 N 0.50 -0.40 -3.92 1.20 0.23 -1.26 -5.05 115.26 106.57 1ygw n ASN 99 Ca 0.18 -0.05 -0.14 0.00 -0.53 0.00 0.00 54.58 54.04 1ygw n ASN 99 Cb 0.41 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.02 1ygw n ASN 99 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1ygw s PHE 100 N -0.25 1.23 -0.28 -2.53 0.08 -1.26 -4.69 117.98 110.28 1ygw s PHE 100 Ca 0.00 -1.39 -0.19 0.00 0.12 0.00 0.00 56.93 55.47 1ygw s PHE 100 Cb 0.00 -0.50 0.08 0.00 -0.57 0.00 0.00 43.02 42.03 1ygw s PHE 100 CO 0.00 -0.76 0.73 0.14 -0.10 0.00 0.00 175.22 175.24 1ygw s VAL 101 N -3.90 0.00 0.12 -0.44 -7.23 -1.09 -4.88 120.40 102.97 1ygw s VAL 101 Ca 0.37 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 60.23 1ygw s VAL 101 Cb 0.05 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.87 1ygw s VAL 101 CO 0.16 0.00 1.80 -1.84 -0.31 0.00 0.00 175.10 174.91 1ygw n GLU 102 N 3.74 2.67 0.00 4.82 0.28 -1.25 0.23 120.64 131.13 1ygw n GLU 102 Ca -0.18 0.97 0.00 0.00 -0.16 0.00 0.00 57.16 57.79 1ygw n GLU 102 Cb 0.58 -2.84 0.00 0.00 1.43 0.00 0.00 31.44 30.61 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97